1286-0243 Screening compound: 4-[(E)-({2-[(thiophen-2-yl)formamido]acetamido}imino)methyl]benzoic acid

1286-0243 Screening compound: 4-[(E)-({2-[(thiophen-2-yl)formamido]acetamido}imino)methyl]benzoic acid
1286-0243 Screening compound: 4-[(E)-({2-[(thiophen-2-yl)formamido]acetamido}imino)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1286-0243
4-[(E)-({2-[(thiophen-2-yl)formamido]acetamido}imino)methyl]benzoic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1286-0243

Molecular Formula

C15H13N3O4S (C15 H13 N3 O4 S)

Compound Name

4-[(E)-({2-[(thiophen-2-yl)formamido]acetamido}imino)methyl]benzoic acid

IUPAC name

4-[(E)-({2-[(thiophen-2-yl)formamido]acetamido}imino)methyl]benzoic acid

SMILES

OC(c1ccc(/C=N/NC(CNC(c2cccs2)=O)=O)cc1)=O

InChI

InChI=1S/C15H13N3O4S/c19-13(9-16-14(20)12-2-1-7-23-12)18-17-8-10-3-5-11(6-4-10)15(21)22/h1-8H,9H2,(H,16,20)(H,18,19)(H,21,22)

InChI Key

KMWOUFLMUAYYDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.108

Distribution Coefficient, logD

-1.499

Water Solubility, LogSw

-2.67

Polar Surface Area

89.452

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

1286-0243 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1286-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1286-0243?
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What is the minimum amount of 1286-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1286-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1286-0243
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1286-0243 available by request